6-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]hexanethial

Systemtic Name: 6-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]hexanethial Openeye Name: 6-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]hexanethial CAS Name: 6-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]hexanethial IUPAC Name: 6-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]hexanethial Traditional Name: 6-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-8-yl]hexanethial Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)CCCCCC=S

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)CCCCCC=S

InChI

InChI=1S/C16H23N5O4S/c17-14-11-15(19-8-18-14)21(10(20-11)5-3-1-2-4-6-26)16-13(24)12(23)9(7-22)25-16/h6,8-9,12-13,16,22-24H,1-5,7H2,(H2,17,18,19)